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Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3258632

FC(F)(F)c1ccc(CCC2=N[C@H](c3ccccc3)[C@H](c3ccccc3)N2)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.64

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 15/20 0.64
▸ PDPK1 O15530 1/20 0.39
▸ PTGS2 P35354 1/20 0.38
▸ PLAAT3 P53816 1/20 0.38
▸ PLAAT5 Q96KN8 1/20 0.38
▸ PLAAT2 Q9NWW9 1/20 0.38
▸ PLAAT4 Q9UL19 1/20 0.38
▸ MC4R P32245 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Trifluoroacetic Acid SCHEMBL3258635 1.00 P2RX7 (0.64) P2RX7PDPK1PTGS2PLAAT3PLAAT5
SCHEMBL3248278 0.93 P2RX7 (0.74) P2RX7
SCHEMBL3248275 0.93 P2RX7 (0.74) P2RX7
SCHEMBL3248279 0.93 P2RX7 (0.74) P2RX7
Trifluoroacetic Acid SCHEMBL3258684 0.90 P2RX7 (0.64) P2RX7PTGS2
Trifluoroacetic Acid SCHEMBL3258746 0.90 P2RX7 (0.66) P2RX7PTGS2
Trifluoroacetic Acid SCHEMBL3258689 0.90 P2RX7 (0.64) P2RX7PTGS2
Trifluoroacetic Acid SCHEMBL3258743 0.90 P2RX7 (0.66) P2RX7PTGS2
Trifluoroacetic Acid SCHEMBL3255823 0.89 P2RX7 (0.64) P2RX7PTGS2
Trifluoroacetic Acid SCHEMBL3255829 0.89 P2RX7 (0.64) P2RX7PTGS2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1651613-B1 4,5-DIHYDRO-IMIDAZOLE AS P2X7 ION CHANNEL BLOCKERS AVENTIS PHARMA INC (US) 2010-05-26 — — EP disclosed